3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phosphono-propanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phosphono-propanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phosphono-propanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phosphonopropanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phosphonopropanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phosphono-propionic acid Formula: C17H27O6P MolecularWeight: 358.366441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C17H27O6P/c1-16(2,3)11-7-10(8-12(14(11)18)17(4,5)6)9-13(15(19)20)24(21,22)23/h7-8,13,18H,9H2,1-6H3,(H,19,20)(H2,21,22,23)